N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide

C25H25F2N3O — CID 110261210

IUPACN-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(C2CCCN2Cc2cccc(F)c2)ccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H25F2N3O/c1-17-22(25(31)28-15-18-7-9-20(26)10-8-18)11-12-23(29-17)24-6-3-13-30(24)16-19-4-2-5-21(27)14-19/h2,4-5,7-12,14,24H,3,6,13,15-16H2,1H3,(H,28,31)
InChIKeyFZMCRJUOKNPWTB-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.94
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide (PubChem CID 110261210) has the molecular formula C25H25F2N3O and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
PubChem CID110261210
Molecular FormulaC25H25F2N3O
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC NameN-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(C2CCCN2Cc2cccc(F)c2)ccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H25F2N3O/c1-17-22(25(31)28-15-18-7-9-20(26)10-8-18)11-12-23(29-17)24-6-3-13-30(24)16-19-4-2-5-21(27)14-19/h2,4-5,7-12,14,24H,3,6,13,15-16H2,1H3,(H,28,31)
InChIKeyFZMCRJUOKNPWTB-UHFFFAOYSA-N
XLogP4.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide (CID 110261210) is N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide is Cc1nc(C2CCCN2Cc2cccc(F)c2)ccc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is FZMCRJUOKNPWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O/c1-17-22(25(31)28-15-18-7-9-20(26)10-8-18)11-12-23(29-17)24-6-3-13-30(24)16-19-4-2-5-21(27)14-19/h2,4-5,7-12,14,24H,3,6,13,15-16H2,1H3,(H,28,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 110261210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).